2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide

C23H20BrNO3 — CID 17098032

IUPAC2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C23H20BrNO3/c1-2-14-27-22-11-7-6-10-20(22)25-23(26)16-28-21-13-12-18(15-19(21)24)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,25,26)
InChIKeyANUKRXOFIIOHCI-UHFFFAOYSA-N
MW438.32 g/mol
LogP5.70
Rot. Bonds8

About 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide

2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 17098032) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID17098032
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C23H20BrNO3/c1-2-14-27-22-11-7-6-10-20(22)25-23(26)16-28-21-13-12-18(15-19(21)24)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,25,26)
InChIKeyANUKRXOFIIOHCI-UHFFFAOYSA-N
XLogP5.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113280
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4960851
2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170263
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide (CID 17098032) is 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is ANUKRXOFIIOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO3/c1-2-14-27-22-11-7-6-10-20(22)25-23(26)16-28-21-13-12-18(15-19(21)24)17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,25,26).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide has a molecular weight of 438.32 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 17098032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).